4-[3-[(3-carbamimidoylphenyl)-methyl-amino]prop-1-ynyl]-2-methyl-N-(2-methylpropyl)benzamide

Systemtic Name: 4-[3-[(3-carbamimidoylphenyl)-methyl-amino]prop-1-ynyl]-2-methyl-N-(2-methylpropyl)benzamide Openeye Name: 4-[3-(3-carbamimidoyl-N-methyl-anilino)prop-1-ynyl]-N-isobutyl-2-methyl-benzamide CAS Name: 4-[3-(3-carbamimidoyl-N-methylanilino)prop-1-ynyl]-2-methyl-N-(2-methylpropyl)benzamide IUPAC Name: 4-[3-(3-carbamimidoyl-N-methylanilino)prop-1-ynyl]-2-methyl-N-(2-methylpropyl)benzamide Traditional Name: 4-[3-(3-amidino-N-methyl-anilino)prop-1-ynyl]-N-isobutyl-2-methyl-benzamide Formula: C23H28N4O MolecularWeight: 376.49462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C#CCN(C)C2=CC=CC(=C2)C(=N)N)C(=O)NCC(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)C#CCN(C)C2=CC=CC(=C2)C(=N)N)C(=O)NCC(C)C

InChI

InChI=1S/C23H28N4O/c1-16(2)15-26-23(28)21-11-10-18(13-17(21)3)7-6-12-27(4)20-9-5-8-19(14-20)22(24)25/h5,8-11,13-14,16H,12,15H2,1-4H3,(H3,24,25)(H,26,28)